密度 | 1.5±0.1 g/cm3 |
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沸点 | 412.3±37.0 °C at 760 mmHg |
熔点 | 119-120?C |
分子式 | C9H7NO3S |
分子量 | 209.222 |
闪点 | 203.2±26.5 °C |
精确质量 | 209.014664 |
PSA | 87.66000 |
LogP | 1.81 |
蒸汽压 | 0.0±1.0 mmHg at 25°C |
折射率 | 1.684 |
计算化学 |
1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:1 3.氢键受体数量:5 4.可旋转化学键数量:2 5.互变异构体数量:无 6.拓扑分子极性表面积87.7 7.重原子数量:14 8.表面电荷:0 9.复杂度:236 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
~%
6-甲氧基苯并噻唑-2-羧酸
946-13-4
|
文献:Organic Letters, , vol. 14, # 15 p. 3986 – 3989 |
~50%
6-甲氧基苯并噻唑-2-羧酸
946-13-4
|
文献:Yarovenko, V. N.; Stoyanovich, F. M.; Zolotarskaya, O. Yu.; Chernoburova, E. I.; Zararzin, I. V.; Krayushkin, M. M. Russian Chemical Bulletin, 2002 , vol. 51, # 1 p. 144 – 147 Izvestiya Akademi Nauk, Seriya Khimicheskaya, 2002 , # 1 p. 136 – 138 |
~77%
6-甲氧基苯并噻唑-2-羧酸
946-13-4
|
文献:Krayushkin; Stoyanovich; Zolotarskaya; Chernoburova; Makhova; Yarovenko; Zavarzin; Martynkin; Uzhinov Chemistry of Heterocyclic Compounds, 2002 , vol. 38, # 2 p. 165 – 176 |
~%
6-甲氧基苯并噻唑-2-羧酸
946-13-4
|
文献:Russian Chemical Bulletin, , vol. 51, # 1 p. 144 – 147 Izvestiya Akademi Nauk, Seriya Khimicheskaya, , # 1 p. 136 – 138 |
~%
6-甲氧基苯并噻唑-2-羧酸
946-13-4
|
文献:Russian Chemical Bulletin, , vol. 51, # 1 p. 144 – 147 Izvestiya Akademi Nauk, Seriya Khimicheskaya, , # 1 p. 136 – 138 |
~%
6-甲氧基苯并噻唑-2-羧酸
946-13-4
|
文献:Journal of the American Chemical Society, , vol. 85, p. 337 – 343 |
6-甲氧基苯并噻唑-2-羧酸上游产品? 7 | |
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6-甲氧基苯并噻唑-2-羧酸下游产品? 10 | |
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6-Methoxy-1,3-benzothiazole-2-carboxylic acid |
6-methoxybenzothiazole-2-carboxylic acid |
6-Methoxybenzthiazol-carbonsaeure-(2) |
6-Methoxy-benzothiazol-carbonsaeure-(2) |
MFCD01119043 |
2-benzothiazolecarboxylic acid, 6-methoxy- |
6-Methoxy-benzothiazol-2-carbonsaeure |
6-methoxybenzo[d]thiazole-2-carboxylic acid |